SCHEMBL17847626

SCHEMBL17847626

COC(=O)CC(NCCN(Cc1ccc(OC)cc1)C1CCN(c2nccc3ccc(F)cc23)CC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CCR3 P51677 1/20 0.36
▸ DRD3 P35462 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 4/20 0.35
▸ CNR2 P34972 2/20 0.34
▸ ABHD6 Q9BV23 2/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CCNE1 P24864 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ MNAT1 P51948 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ FAAH O00519 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17847628 0.87 MEN1 (0.38) MEN1KMT2ACCR3DRD3DRD2
SCHEMBL17847555 0.84 VCP (0.38) —
SCHEMBL19743155 0.84 CCNE1 (0.36) CCR3DRD3DRD2CHRM4CCNE1
SCHEMBL17865249 0.81 HTR2A (0.38) MEN1KMT2ADRD3DRD2HTR2A
SCHEMBL17865139 0.76 APLNR (0.37) APLNR
Lithium Ion SCHEMBL17847540 0.74 HTR7 (0.34) —
SCHEMBL17865173 0.74 HDAC3 (0.40) —
SCHEMBL17865170 0.73 CCR3 (0.46) MEN1KMT2ACCR3CHRM4KCNH2
SCHEMBL19753629 0.72 OPRK1 (0.37) —
Hydrochloric Acid SCHEMBL19743164 0.72 CCR3 (0.45) MEN1KMT2ACCR3CHRM4KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10369130-B2 Antibacterial compounds AZIEN DE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2019-08-06 — — US disclosed
US-10369130-B2 Antibacterial compounds AZIEN DE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2019-08-06 — — US disclosed
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 — — US disclosed
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 — — US disclosed
EP-3233826-A1 NEW ANTIBACTERIAL COMPOUNDS Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 — — EP disclosed
WO-2016096631-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10369130-B2 Antibacterial compounds MRPL21, CLPP, NRDC MEN1 4380/4885KMT2A 4691/4885CCR3 3672/4885
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC MEN1 4380/4885KMT2A 4691/4885CCR3 3672/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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